[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol

C12H9F4NO — CID 149025000

IUPAC[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol
SMILESOCC1=CN=C(c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C12H9F4NO/c13-10-2-1-8(4-9(10)12(14,15)16)11-3-7(6-18)5-17-11/h1-2,4-5,18H,3,6H2
InChIKeyQEFIEAHUZUQFLP-UHFFFAOYSA-N
MW259.20 g/mol
LogP2.91
Rot. Bonds2

About [2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol

[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol (PubChem CID 149025000) has the molecular formula C12H9F4NO and a molecular weight of 259.20 g/mol. Its IUPAC name is [2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol
PubChem CID149025000
Molecular FormulaC12H9F4NO
Molecular Weight259.20 g/mol
Exact Mass259.06
IUPAC Name[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol
SMILESOCC1=CN=C(c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C12H9F4NO/c13-10-2-1-8(4-9(10)12(14,15)16)11-3-7(6-18)5-17-11/h1-2,4-5,18H,3,6H2
InChIKeyQEFIEAHUZUQFLP-UHFFFAOYSA-N
XLogP2.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
CID 147898535
[2-(2-fluorophenyl)-3H-pyrrol-4-yl]methanol
CID 158669979
2-(3-Ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol
CID 170062922
[5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol
CID 175775605
[3-[4-Fluoro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 81832527
1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol
CID 162580164
(2-phenyl-3H-pyrrol-4-yl)methanol
CID 147092493
[3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol
CID 148716228
[3-(3H-pyrrol-2-yl)phenyl]methanol
CID 149204917
3-Azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
CID 169005834

Frequently Asked Questions

What is the IUPAC name of [2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol?
The IUPAC name of [2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol (CID 149025000) is [2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol.
What is the SMILES notation for [2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol?
The canonical SMILES for [2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol is OCC1=CN=C(c2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of [2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol?
The InChIKey is QEFIEAHUZUQFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NO/c13-10-2-1-8(4-9(10)12(14,15)16)11-3-7(6-18)5-17-11/h1-2,4-5,18H,3,6H2.
What are the key properties of [2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol?
[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol has a molecular weight of 259.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol is sourced from PubChem (CID 149025000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).